5-(3,4-dimethylphenyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C29H33N5O4S MolecularWeight: 547.66842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCCCC5)C

InChI

InChI=1S/C29H33N5O4S/c1-20-6-7-22(18-21(20)2)26-10-11-27(38-26)28(35)30-29(39)33-16-14-31(15-17-33)23-8-9-24(34(36)37)25(19-23)32-12-4-3-5-13-32/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,30,35,39)